2JL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAT | doub | 1.22Å | 1.23Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| CAT | CAU | sing | 1.48Å | 1.52Å | |
| CAT | NAZ | sing | 1.35Å | 1.48Å | |
| CAH | CAK | doub | 1.36Å | 1.39Å | Aromatic |
| CAH | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| C | CA | sing | 1.51Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | NAZ | sing | 1.47Å | 1.41Å | |
| OD1 | CG | doub | 1.21Å | 1.26Å | |
| CAK | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CG | OD2 | sing | 1.34Å | 1.26Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| NAZ | CAP | sing | 1.47Å | 1.38Å | |
| CAN | CAW | sing | 1.40Å | 1.41Å | Aromatic |
| CAY | CAW | doub | 1.41Å | 1.38Å | Aromatic |
| CAY | CAX | sing | 1.47Å | 1.45Å | Aromatic |
| CAJ | CAX | doub | 1.40Å | 1.42Å | Aromatic |
| CAJ | CAG | sing | 1.37Å | 1.39Å | Aromatic |
| CAW | CAM | sing | 1.41Å | 1.41Å | Aromatic |
| CAX | CAV | sing | 1.41Å | 1.38Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.53Å | 1.50Å | |
| N | CAO | sing | 1.47Å | 1.50Å | |
| CAM | CAL | doub | 1.35Å | 1.39Å | Aromatic |
| CAV | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAV | CAI | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAI | sing | 1.36Å | 1.38Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| OD2 | H18 | sing | 0.97Å | 0.95Å | |
| OXT | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAT | CAU | 113.9° | 120.0° |
| OAC | CAT | NAZ | 117.3° | 120.0° |
| O | C | CA | 122.1° | 120.0° |
| O | C | OXT | 118.3° | 120.0° |
| CAU | CAT | NAZ | 128.7° | 120.0° |
| CAT | CAU | CAH | 121.0° | 119.8° |
| CAT | CAU | CAN | 119.5° | 119.8° |
| CAT | NAZ | CB | 126.4° | 120.9° |
| CAT | NAZ | CAP | 119.1° | 120.9° |
| CAK | CAH | CAU | 119.9° | 120.6° |
| CAH | CAK | CAY | 121.3° | 120.1° |
| CAK | CAH | H6 | 120.0° | 119.7° |
| CAH | CAK | H9 | 119.3° | 119.9° |
| CAH | CAU | CAN | 119.5° | 120.4° |
| CAU | CAH | H6 | 120.0° | 119.7° |
| CA | C | OXT | 119.5° | 120.0° |
| C | CA | CB | 114.9° | 109.5° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | H3 | 107.6° | 109.5° |
| C | OXT | H19 | 109.5° | 117.0° |
| CG | CB | CA | 112.9° | 109.6° |
| CG | CB | NAZ | 115.8° | 109.6° |
| CB | CG | OD1 | 119.2° | 120.0° |
| CB | CG | OD2 | 122.0° | 120.0° |
| CG | CB | H17 | 106.8° | 109.6° |
| CA | CB | NAZ | 105.8° | 108.5° |
| CB | CA | N | 109.5° | 109.3° |
| CB | CA | H3 | 107.3° | 109.4° |
| CA | CB | H17 | 107.0° | 109.7° |
| CB | NAZ | CAP | 114.4° | 118.3° |
| NAZ | CB | H17 | 108.3° | 109.7° |
| OD1 | CG | OD2 | 118.8° | 120.0° |
| CAK | CAY | CAW | 118.0° | 120.1° |
| CAK | CAY | CAX | 122.7° | 121.3° |
| CAY | CAK | H9 | 119.4° | 120.0° |
| CAU | CAN | CAW | 120.3° | 119.6° |
| CAU | CAN | H12 | 119.9° | 120.2° |
| CG | OD2 | H18 | 109.5° | 117.0° |
| CA | N | CAO | 110.6° | 111.3° |
| CA | N | H1 | 109.2° | 111.0° |
| N | CA | H3 | 107.7° | 109.5° |
| NAZ | CAP | CAO | 110.6° | 108.5° |
| NAZ | CAP | H15 | 109.2° | 109.6° |
| NAZ | CAP | H16 | 109.2° | 109.8° |
| CAN | CAW | CAY | 121.1° | 119.3° |
| CAN | CAW | CAM | 118.2° | 120.8° |
| CAW | CAN | H12 | 119.8° | 120.2° |
| CAW | CAY | CAX | 119.4° | 118.6° |
| CAY | CAW | CAM | 120.8° | 119.9° |
| CAY | CAX | CAJ | 122.4° | 121.5° |
| CAY | CAX | CAV | 119.4° | 118.8° |
| CAX | CAJ | CAG | 120.7° | 119.7° |
| CAJ | CAX | CAV | 118.3° | 119.8° |
| CAX | CAJ | H8 | 119.6° | 120.1° |
| CAJ | CAG | CAF | 119.9° | 120.7° |
| CAJ | CAG | H5 | 120.1° | 119.6° |
| CAG | CAJ | H8 | 119.6° | 120.2° |
| CAW | CAM | CAL | 119.8° | 121.5° |
| CAW | CAM | H11 | 120.1° | 119.3° |
| CAX | CAV | CAL | 120.4° | 119.9° |
| CAX | CAV | CAI | 121.3° | 119.1° |
| CAG | CAF | CAI | 119.9° | 121.0° |
| CAG | CAF | H4 | 120.0° | 119.6° |
| CAF | CAG | H5 | 120.0° | 119.7° |
| CAP | CAO | N | 110.6° | 109.3° |
| CAP | CAO | H13 | 109.2° | 109.4° |
| CAP | CAO | H14 | 109.2° | 109.5° |
| CAO | CAP | H15 | 109.2° | 109.7° |
| CAO | CAP | H16 | 109.2° | 109.6° |
| CAO | N | H1 | 109.2° | 111.0° |
| N | CAO | H13 | 109.2° | 109.5° |
| N | CAO | H14 | 109.2° | 109.5° |
| CAM | CAL | CAV | 120.3° | 121.4° |
| CAM | CAL | H10 | 119.8° | 119.3° |
| CAL | CAM | H11 | 120.1° | 119.3° |
| CAL | CAV | CAI | 118.3° | 121.0° |
| CAV | CAL | H10 | 119.8° | 119.3° |
| CAV | CAI | CAF | 119.9° | 119.7° |
| CAV | CAI | H7 | 120.1° | 120.1° |
| CAI | CAF | H4 | 120.1° | 119.5° |
| CAF | CAI | H7 | 120.1° | 120.2° |
| H13 | CAO | H14 | 109.5° | 109.6° |
| H15 | CAP | H16 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAT | CAU | NAZ | 178.7° | 180.0° |
| OAC | CAT | CAU | CAH | 58.2° | 49.3° |
| OAC | CAT | NAZ | CB | 0.5° | 3.8° |
| OAC | CAT | CAU | CAN | 119.3° | 130.4° |
| OAC | CAT | NAZ | CAP | 179.0° | 176.1° |
| O | C | CA | OXT | 179.5° | 180.0° |
| O | C | CA | CB | 33.3° | 99.9° |
| O | C | CA | N | 157.0° | 20.0° |
| O | C | CA | H3 | 86.2° | 140.1° |
| O | C | OXT | H19 | 0.0° | 0.0° |
| CAT | CAU | CAH | CAK | 178.9° | 180.0° |
| CAT | CAU | CAH | CAN | 177.6° | 179.7° |
| CAU | CAT | NAZ | CB | 178.1° | 176.2° |
| CAU | CAT | NAZ | CAP | 0.3° | 3.9° |
| CAT | CAU | CAN | CAW | 178.9° | 179.8° |
| CAT | CAU | CAH | H6 | 1.1° | 0.0° |
| CAT | CAU | CAN | H12 | 1.1° | 0.6° |
| NAZ | CAT | CAU | CAH | 123.1° | 130.7° |
| CAT | NAZ | CB | CG | 121.5° | 111.5° |
| CAT | NAZ | CB | CA | 112.7° | 128.8° |
| CAT | NAZ | CB | CAP | 178.5° | 180.0° |
| NAZ | CAT | CAU | CAN | 59.4° | 49.6° |
| CAT | NAZ | CAP | CAO | 117.1° | 128.8° |
| CAT | NAZ | CAP | H15 | 3.0° | 111.5° |
| CAT | NAZ | CAP | H16 | 122.7° | 9.1° |
| CAT | NAZ | CB | H17 | 1.7° | 9.0° |
| CAK | CAH | CAU | H6 | 180.0° | 180.0° |
| CAH | CAK | CAY | H9 | 180.0° | 180.0° |
| CAK | CAH | CAU | CAN | 1.4° | 0.3° |
| CAH | CAK | CAY | CAW | 0.1° | 0.0° |
| CAH | CAK | CAY | CAX | 179.6° | 180.0° |
| CAU | CAH | CAK | CAY | 0.7° | 0.0° |
| CAH | CAU | CAN | CAW | 1.3° | 0.5° |
| CAU | CAH | CAK | H9 | 179.3° | 180.0° |
| CAH | CAU | CAN | H12 | 178.7° | 179.1° |
| C | CA | CB | CG | 57.8° | 54.1° |
| C | CA | CB | N | 123.9° | 120.0° |
| C | CA | CB | H3 | 119.6° | 120.0° |
| C | CA | CB | NAZ | 174.6° | 173.8° |
| C | CA | N | H3 | 116.7° | 120.1° |
| C | CA | N | CAO | 176.6° | 176.9° |
| C | CA | N | H1 | 63.2° | 58.9° |
| C | CA | CB | H17 | 59.4° | 66.3° |
| CA | C | OXT | H19 | 179.5° | 180.0° |
| OXT | C | CA | CB | 147.3° | 80.1° |
| OXT | C | CA | N | 23.5° | 160.0° |
| OXT | C | CA | H3 | 93.3° | 39.9° |
| CG | CB | CA | NAZ | 127.6° | 119.7° |
| CG | CB | CA | H17 | 117.2° | 120.4° |
| CG | CB | NAZ | H17 | 119.8° | 120.4° |
| CB | CG | OD1 | OD2 | 179.7° | 180.0° |
| CG | CB | CA | N | 66.1° | 65.9° |
| CG | CB | NAZ | CAP | 60.0° | 68.5° |
| CG | CB | CA | H3 | 177.3° | 174.2° |
| CB | CG | OD2 | H18 | 179.7° | 180.0° |
| CA | CB | NAZ | H17 | 114.4° | 119.9° |
| CA | CB | CG | OD1 | 176.7° | 100.0° |
| CA | CB | CG | OD2 | 3.6° | 80.0° |
| CB | CA | N | H3 | 116.4° | 119.9° |
| CA | CB | NAZ | CAP | 65.8° | 51.2° |
| CB | CA | N | CAO | 56.5° | 63.1° |
| CB | CA | N | H1 | 63.7° | 61.1° |
| NAZ | CB | CG | OD1 | 61.3° | 19.0° |
| NAZ | CB | CG | OD2 | 118.4° | 161.0° |
| NAZ | CB | CA | N | 61.5° | 53.8° |
| CB | NAZ | CAP | CAO | 61.5° | 51.2° |
| NAZ | CB | CA | H3 | 55.1° | 66.1° |
| CB | NAZ | CAP | H15 | 178.4° | 68.5° |
| CB | NAZ | CAP | H16 | 58.6° | 171.0° |
| OD1 | CG | CB | H17 | 59.3° | 139.5° |
| OD1 | CG | OD2 | H18 | 0.0° | 0.0° |
| CAK | CAY | CAW | CAN | 0.2° | 0.2° |
| CAK | CAY | CAW | CAX | 179.5° | 180.0° |
| CAK | CAY | CAX | CAJ | 0.6° | 0.0° |
| CAK | CAY | CAW | CAM | 179.8° | 179.4° |
| CAK | CAY | CAX | CAV | 180.0° | 179.7° |
| CAY | CAK | CAH | H6 | 179.3° | 180.0° |
| CAU | CAN | CAW | H12 | 180.0° | 179.6° |
| CAU | CAN | CAW | CAY | 0.5° | 0.5° |
| CAU | CAN | CAW | CAM | 179.2° | 179.7° |
| CAN | CAU | CAH | H6 | 178.6° | 179.7° |
| OD2 | CG | CB | H17 | 120.9° | 40.5° |
| CA | N | CAO | CAP | 50.3° | 63.1° |
| CA | N | CAO | H1 | 120.2° | 124.2° |
| CA | N | CAO | H13 | 69.8° | 177.0° |
| CA | N | CAO | H14 | 170.5° | 56.8° |
| N | CA | CB | H17 | 176.7° | 173.7° |
| NAZ | CAP | CAO | H15 | 120.2° | 119.7° |
| NAZ | CAP | CAO | H16 | 120.1° | 119.8° |
| NAZ | CAP | CAO | N | 51.0° | 53.9° |
| NAZ | CAP | CAO | H13 | 69.2° | 173.8° |
| NAZ | CAP | CAO | H14 | 171.1° | 66.1° |
| NAZ | CAP | H15 | H16 | 119.5° | 120.6° |
| CAP | NAZ | CB | H17 | 179.8° | 171.1° |
| CAN | CAW | CAY | CAM | 179.7° | 179.2° |
| CAN | CAW | CAY | CAX | 179.7° | 179.8° |
| CAN | CAW | CAM | CAL | 180.0° | 180.0° |
| CAN | CAW | CAM | H11 | 0.0° | 0.8° |
| CAW | CAY | CAX | CAJ | 179.9° | 179.9° |
| CAW | CAY | CAX | CAV | 0.5° | 0.2° |
| CAY | CAW | CAM | CAL | 0.3° | 0.8° |
| CAW | CAY | CAK | H9 | 179.9° | 180.0° |
| CAY | CAW | CAM | H11 | 179.7° | 180.0° |
| CAY | CAW | CAN | H12 | 179.5° | 179.1° |
| CAY | CAX | CAJ | CAV | 179.4° | 179.7° |
| CAY | CAX | CAJ | CAG | 179.8° | 180.0° |
| CAX | CAY | CAW | CAM | 0.6° | 0.5° |
| CAY | CAX | CAV | CAL | 0.1° | 0.2° |
| CAY | CAX | CAV | CAI | 179.4° | 179.7° |
| CAY | CAX | CAJ | H8 | 0.1° | 0.4° |
| CAX | CAY | CAK | H9 | 0.4° | 0.0° |
| CAX | CAJ | CAG | H8 | 180.0° | 179.6° |
| CAX | CAJ | CAG | CAF | 0.5° | 0.1° |
| CAJ | CAX | CAV | CAL | 179.5° | 179.9° |
| CAJ | CAX | CAV | CAI | 0.0° | 0.6° |
| CAX | CAJ | CAG | H5 | 179.5° | 179.9° |
| CAG | CAJ | CAX | CAV | 0.5° | 0.3° |
| CAJ | CAG | CAF | H5 | 180.0° | 179.9° |
| CAJ | CAG | CAF | CAI | 0.1° | 0.1° |
| CAJ | CAG | CAF | H4 | 179.9° | 179.8° |
| CAW | CAM | CAL | H11 | 180.0° | 179.1° |
| CAW | CAM | CAL | CAV | 0.1° | 0.8° |
| CAW | CAM | CAL | H10 | 179.9° | 179.2° |
| CAM | CAW | CAN | H12 | 0.8° | 0.1° |
| CAX | CAV | CAL | CAM | 0.2° | 0.5° |
| CAX | CAV | CAL | CAI | 179.5° | 179.5° |
| CAX | CAV | CAI | CAF | 0.4° | 0.6° |
| CAX | CAV | CAI | H7 | 179.6° | 179.5° |
| CAV | CAX | CAJ | H8 | 179.5° | 179.9° |
| CAX | CAV | CAL | H10 | 179.8° | 179.5° |
| CAG | CAF | CAI | CAV | 0.3° | 0.3° |
| CAG | CAF | CAI | H4 | 180.0° | 179.7° |
| CAG | CAF | CAI | H7 | 179.7° | 179.7° |
| CAF | CAG | CAJ | H8 | 179.5° | 179.7° |
| CAP | CAO | N | H13 | 120.2° | 119.9° |
| CAP | CAO | N | H14 | 120.2° | 120.0° |
| CAP | CAO | N | H1 | 69.8° | 61.0° |
| CAP | CAO | H13 | H14 | 119.5° | 120.1° |
| CAO | CAP | H15 | H16 | 119.5° | 120.4° |
| CAO | N | CA | H3 | 59.9° | 56.8° |
| N | CAO | H13 | H14 | 119.5° | 120.1° |
| N | CAO | CAP | H15 | 171.1° | 65.8° |
| N | CAO | CAP | H16 | 69.2° | 173.7° |
| CAM | CAL | CAV | H10 | 180.0° | 180.0° |
| CAM | CAL | CAV | CAI | 179.7° | 180.0° |
| CAL | CAV | CAI | CAF | 179.9° | 179.9° |
| CAL | CAV | CAI | H7 | 0.1° | 0.0° |
| CAV | CAL | CAM | H11 | 179.9° | 179.9° |
| CAV | CAI | CAF | H7 | 180.0° | 179.9° |
| CAV | CAI | CAF | H4 | 179.7° | 179.9° |
| CAI | CAV | CAL | H10 | 0.3° | 0.0° |
| CAI | CAF | CAG | H5 | 179.9° | 179.9° |
| H1 | N | CA | H3 | 179.9° | 179.0° |
| H1 | N | CAO | H13 | 170.0° | 58.9° |
| H1 | N | CAO | H14 | 50.4° | 179.0° |
| H3 | CA | CB | H17 | 60.2° | 53.7° |
| H4 | CAF | CAG | H5 | 0.1° | 0.3° |
| H4 | CAF | CAI | H7 | 0.3° | 0.0° |
| H5 | CAG | CAJ | H8 | 0.6° | 0.4° |
| H6 | CAH | CAK | H9 | 0.7° | 0.0° |
| H10 | CAL | CAM | H11 | 0.1° | 0.1° |
| H13 | CAO | CAP | H15 | 50.9° | 54.1° |
| H13 | CAO | CAP | H16 | 170.6° | 66.4° |
| H14 | CAO | CAP | H15 | 68.7° | 174.2° |
| H14 | CAO | CAP | H16 | 51.0° | 53.8° |
